Geometry & MOs

Info

ID:

426057

PubChem CID:

135135693

Reduced:

SO5N6C26H28 (1)

Stoich.:

AB5C6D26E28 (1)

Weight, g/mol:

1144.772285

ΔHf, kcal/mol:

-42.82

Dipole, Da:

4.58

IP(EA), eV:

 -9.18(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-[2-[3-[[(2R)-1-[(2S)-2-[[3-[1-[4-[[(2S)-2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1S(=O)(=O)N(C)CC2=CC(=CC=C2)N3C(=C(C=N3)C(=O)O)[C@@H]4C[C@H]4C5=CN(N=N5)C

DOS

IR

Vibrations